0 mol 16 unq 0 iso 0 dist 8.59049 5.70228 4.7319 6.21616 6.86055 7.65889 5.11248 6.72833 6.51133 5.94982 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 11.6434 5.11636 7.95042 13.4836 8.60554 8.52463 5.80953 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 9.95169 5.18617 9.48085 6.63966 8.50222 6.08585 6.53269 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 9.95169 5.18617 9.48085 7.66414 12.4659 9.15781 9.81524 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 6.22122 4.96681 7.17969 9.95169 5.68041 9.48085 6.63966 7.55264 6.08585 6.53269 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 9.95169 5.68041 9.48085 7.66414 10.3593 9.15781 9.81524 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 12.0518 5.69391 9.55118 15.1138 9.27838 11.6378 7.58875 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 9.55337 3.9764 5.10496 18.9936 11.3043 7.94178 9.84703 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 9.55337 3.9764 5.10496 11.0132 6.65501 4.4057 4.62494 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 8.05602 4.72129 6.48948 9.55337 3.9764 5.92242 18.9936 11.3043 15.7178 9.84703 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.05602 4.72129 6.48948 9.55337 3.9764 5.92242 11.0132 6.65501 7.42446 4.62494 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 8.05602 12.0339 6.10456 15.2414 10.4782 7.54889 11.0132 6.65501 9.67482 8.46823 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 8.05602 12.0339 6.10456 15.2414 10.4782 7.54889 18.9936 11.3043 9.85543 9.25444 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 8.05602 12.0339 6.10456 9.55337 3.9764 5.2571 18.9936 11.3043 9.85543 9.84703 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 8.05602 12.0339 6.10456 9.55337 3.9764 5.2571 11.0132 6.65501 9.67482 4.62494 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 5.70279 5.85449 6.65086 10.7785 6.23008 8.91882 11.1452 9.5074 6.71012 6.55173 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 5.70279 5.85449 6.65086 10.7785 6.23008 8.91882 10.838 8.30845 5.80144 6.59691 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 13.0202 5.00433 8.52024 10.8869 7.80523 7.74599 7.56755 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 14.8889 9.68677 7.64052 21.2977 17.8739 12.0175 8.67537 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 8.14405 4.91785 8.97626 5.52764 7.92304 5.50031 9.16358 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 5.68636 7.92939 6.43582 8.14405 4.91785 8.97626 11.0203 10.3161 6.89781 9.24038 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 5.47561 5.60111 7.21333 8.51427 6.84862 5.56538 10.3328 7.67576 7.75656 8.43195 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 5.47561 5.60111 7.21333 11.6182 9.53117 7.48954 10.3328 7.67576 7.75656 8.23406 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 5.31916 7.05804 8.79428 7.45491 11.9653 7.38836 9.25617 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 5.31916 7.05804 8.79428 5.77278 14.5387 12.4832 9.05276 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 5.31916 7.05804 6.8692 7.45491 11.9653 10.6079 9.25617 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 9.73411 5.99647 5.78342 5.31916 7.05804 6.8692 5.77278 14.5387 11.5752 9.05276 numMergedOcc 0
27 mol 224 unq 4 iso 0 dist 7.75485 5.99647 5.81334 5.31916 4.54188 6.8692 7.45491 12.9355 10.6079 9.25617 numMergedOcc 0
28 mol 224 unq 5 iso 0 dist 7.75485 5.99647 5.81334 5.31916 4.54188 6.8692 5.77278 12.8311 11.5752 9.05276 numMergedOcc 0
29 mol 224 unq 6 iso 0 dist 7.07564 10.8463 6.57273 11.6723 7.05804 8.79428 14.9847 11.9653 7.38836 9.25617 numMergedOcc 0
30 mol 224 unq 7 iso 0 dist 7.07564 10.8463 6.57273 11.6723 7.05804 8.79428 16.861 14.5387 12.4832 9.05276 numMergedOcc 0
31 mol 224 unq 8 iso 0 dist 7.07564 5.44863 5.78342 11.6723 7.05804 6.8692 14.9847 11.9653 10.6079 9.25617 numMergedOcc 0
32 mol 224 unq 9 iso 0 dist 7.07564 5.44863 5.78342 11.6723 7.05804 6.8692 16.861 14.5387 11.5752 9.05276 numMergedOcc 0
33 mol 224 unq 10 iso 0 dist 9.11052 5.44863 5.81334 11.6723 4.54188 6.8692 14.9847 12.9355 10.6079 9.25617 numMergedOcc 0
34 mol 224 unq 11 iso 0 dist 9.11052 5.44863 5.81334 11.6723 4.54188 6.8692 16.861 12.8311 11.5752 9.05276 numMergedOcc 0
35 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.3383 5.70473 7.27993 10.4939 8.66332 6.65022 9.37336 numMergedOcc 0
36 mol 229 unq 1 iso 0 dist 5.00457 5.65373 7.03423 10.3383 7.22525 7.27993 10.4939 11.1976 6.65022 9.37336 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 11.7534 10.6736 6.73665 17.4644 11.308 11.169 8.95511 numMergedOcc 0
38 mol 239 unq 1 iso 0 dist 8.61729 7.02319 6.16342 11.7534 10.6736 6.73665 7.01124 10.3435 5.88931 5.85002 numMergedOcc 0
